Chemical ID: 5596095

CC(=O)c1ccc(cc1)NC(=O)CCNC(=O)c2ccccc2Cl
Chemical ID:
5596095
Name [?]:
N-[2-[(4-acetylphenyl)carbamoyl]ethyl]-2-chloro-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H17ClN2O3/c1-12(22)13-6-8-14(9-7-13)21-17(23)10-11-20-18(24)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,5,9,6,8,13,14,2,4,7,18,23,11,16,24,15,10,3,12,17/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCNCOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.61234
Area:570.638
Solvation:-4.6536
Coulombic:-49.0774
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:344.792
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.79
LogP (Chemaxon):2.03

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